Dodecylamine
AlkaPlorer ID: AK004513
Synonym: None
IUPAC Name: dodecan-1-amine
Structure
SMILES: CCCCCCCCCCCCN
InChI: InChI=1S/C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-13H2,1H3
InChIKey: JRBPAEWTRLWTQC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lithocarpus polystachyus | Lithocarpus | Fagaceae | Fagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 185.35499999999996
TPSA？: 26.02
MolLogP？: 3.8660000000000023
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Dynamin-1 | IC50 | 12900.0 | nM | 10.1016/j.bmcl.2004.03.096 |
| Homo sapiens | Epoxide hydrolase 1 | IC50 | 12900.0 | nM | 10.1016/j.ejmech.2020.112206 |
| Homo sapiens | Epoxide hydrolase 1 | Inhibition | 83.0 | % | 10.1016/j.ejmech.2020.112206 |
| Rattus norvegicus | N-acylethanolamine-hydrolyzing acid amidase | Inhibition | nan | % | 10.1016/j.bmc.2012.03.065 |
| None | ADMET | Activity | 100.0 | % | 10.1021/jm00195a026 |
| None | No relevant target | pKa | 10.6 | None | 10.1021/jm00195a026 |